# generated using pymatgen
data_Al6Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.57909792
_cell_length_b   15.40057690
_cell_length_c   50.84468197
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al6Fe
_chemical_formula_sum   'Al144 Fe24'
_cell_volume   5934.71739192
_cell_formula_units_Z   24
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Al  Al1  1  0.821818  0.166804  0.398958  1
  Al  Al2  1  0.820166  0.519136  0.321868  1
  Al  Al3  1  0.002387  0.858970  0.338213  1
  Al  Al4  1  0.002387  0.509652  0.406523  1
  Al  Al5  1  0.817687  0.009868  0.326291  1
  Al  Al6  1  0.822127  0.664407  0.397868  1
  Al  Al7  1  0.002387  0.163672  0.315852  1
  Al  Al8  1  0.002387  0.817641  0.386869  1
  Al  Al9  1  0.689643  0.155258  0.350308  1
  Al  Al10  1  0.689787  0.814716  0.419732  1
  Al  Al11  1  0.187088  0.009868  0.326291  1
  Al  Al12  1  0.182648  0.664407  0.397868  1
  Al  Al13  1  0.002387  0.751340  0.296746  1
  Al  Al14  1  0.002387  0.419897  0.358040  1
  Al  Al15  1  0.814192  0.352210  0.411901  1
  Al  Al16  1  0.815603  0.695081  0.341467  1
  Al  Al17  1  0.190582  0.352210  0.411901  1
  Al  Al18  1  0.189171  0.695081  0.341467  1
  Al  Al19  1  0.815045  0.984280  0.383950  1
  Al  Al20  1  0.819911  0.322690  0.315960  1
  Al  Al21  1  0.002387  0.254643  0.360283  1
  Al  Al22  1  0.002387  0.917768  0.430076  1
  Al  Al23  1  0.182956  0.166804  0.398958  1
  Al  Al24  1  0.184608  0.519136  0.321868  1
  Al  Al25  1  0.322702  0.335835  0.363135  1
  Al  Al26  1  0.321111  0.672302  0.293638  1
  Al  Al27  1  0.502387  0.002958  0.297804  1
  Al  Al28  1  0.502387  0.685884  0.374018  1
  Al  Al29  1  0.326228  0.157194  0.297525  1
  Al  Al30  1  0.321023  0.839279  0.362292  1
  Al  Al31  1  0.502387  0.990142  0.349491  1
  Al  Al32  1  0.502387  0.651626  0.423011  1
  Al  Al33  1  0.189729  0.984280  0.383950  1
  Al  Al34  1  0.184863  0.322690  0.315960  1
  Al  Al35  1  0.678546  0.157194  0.297525  1
  Al  Al36  1  0.683751  0.839279  0.362292  1
  Al  Al37  1  0.502387  0.250928  0.402265  1
  Al  Al38  1  0.502387  0.589769  0.331479  1
  Al  Al39  1  0.303366  0.852481  0.307143  1
  Al  Al40  1  0.312241  0.517761  0.373163  1
  Al  Al41  1  0.701408  0.852481  0.307143  1
  Al  Al42  1  0.692533  0.517761  0.373163  1
  Al  Al43  1  0.315131  0.155258  0.350308  1
  Al  Al44  1  0.314987  0.814716  0.419732  1
  Al  Al45  1  0.502387  0.086509  0.394640  1
  Al  Al46  1  0.502387  0.424728  0.323694  1
  Al  Al47  1  0.682072  0.335835  0.363135  1
  Al  Al48  1  0.683663  0.672302  0.293638  1
  Al  Al49  1  0.822500  0.496713  0.541714  1
  Al  Al50  1  0.822163  0.831881  0.469660  1
  Al  Al51  1  0.002387  0.182270  0.481114  1
  Al  Al52  1  0.002387  0.844245  0.553375  1
  Al  Al53  1  0.821332  0.333345  0.469648  1
  Al  Al54  1  0.821424  0.995560  0.541502  1
  Al  Al55  1  0.002387  0.484665  0.457805  1
  Al  Al56  1  0.002387  0.146640  0.530238  1
  Al  Al57  1  0.690107  0.479812  0.491839  1
  Al  Al58  1  0.689620  0.142782  0.563142  1
  Al  Al59  1  0.183442  0.333345  0.469648  1
  Al  Al60  1  0.183350  0.995560  0.541502  1
  Al  Al61  1  0.002387  0.081594  0.438144  1
  Al  Al62  1  0.002387  0.746057  0.509335  1
  Al  Al63  1  0.814824  0.680962  0.555423  1
  Al  Al64  1  0.815010  0.016865  0.483705  1
  Al  Al65  1  0.189950  0.680962  0.555423  1
  Al  Al66  1  0.189764  0.016865  0.483705  1
  Al  Al67  1  0.815048  0.311887  0.527588  1
  Al  Al68  1  0.814667  0.647719  0.456103  1
  Al  Al69  1  0.002387  0.582446  0.502028  1
  Al  Al70  1  0.002387  0.247164  0.573278  1
  Al  Al71  1  0.182275  0.496713  0.541714  1
  Al  Al72  1  0.182612  0.831881  0.469660  1
  Al  Al73  1  0.321957  0.664279  0.505735  1
  Al  Al74  1  0.321771  0.999570  0.433908  1
  Al  Al75  1  0.502387  0.351547  0.445203  1
  Al  Al76  1  0.502387  0.013520  0.516758  1
  Al  Al77  1  0.319949  0.501536  0.433416  1
  Al  Al78  1  0.321259  0.164429  0.505612  1
  Al  Al79  1  0.502387  0.315417  0.494490  1
  Al  Al80  1  0.502387  0.976471  0.565922  1
  Al  Al81  1  0.189726  0.311887  0.527588  1
  Al  Al82  1  0.190107  0.647719  0.456103  1
  Al  Al83  1  0.684826  0.501536  0.433416  1
  Al  Al84  1  0.683516  0.164429  0.505612  1
  Al  Al85  1  0.502387  0.578474  0.545261  1
  Al  Al86  1  0.502387  0.913839  0.473456  1
  Al  Al87  1  0.315431  0.185907  0.448055  1
  Al  Al88  1  0.314830  0.848698  0.519562  1
  Al  Al89  1  0.689343  0.185907  0.448055  1
  Al  Al90  1  0.689944  0.848698  0.519562  1
  Al  Al91  1  0.314668  0.479812  0.491839  1
  Al  Al92  1  0.315155  0.142782  0.563142  1
  Al  Al93  1  0.502387  0.414827  0.537920  1
  Al  Al94  1  0.502387  0.750113  0.466141  1
  Al  Al95  1  0.682818  0.664279  0.505735  1
  Al  Al96  1  0.683003  0.999570  0.433908  1
  Al  Al97  1  0.821932  0.816946  0.687718  1
  Al  Al98  1  0.820091  0.161454  0.612534  1
  Al  Al99  1  0.002387  0.511971  0.624673  1
  Al  Al100  1  0.002387  0.164586  0.695250  1
  Al  Al101  1  0.820869  0.663357  0.614294  1
  Al  Al102  1  0.821889  0.320505  0.682805  1
  Al  Al103  1  0.002387  0.816086  0.604332  1
  Al  Al104  1  0.002387  0.469716  0.672764  1
  Al  Al105  1  0.688595  0.809895  0.638645  1
  Al  Al106  1  0.698159  0.465356  0.703205  1
  Al  Al107  1  0.183905  0.663357  0.614294  1
  Al  Al108  1  0.182885  0.320505  0.682805  1
  Al  Al109  1  0.002387  0.411245  0.581377  1
  Al  Al110  1  0.002387  0.074209  0.650637  1
  Al  Al111  1  0.823230  0.999632  0.693344  1
  Al  Al112  1  0.814915  0.344994  0.627144  1
  Al  Al113  1  0.181544  0.999632  0.693344  1
  Al  Al114  1  0.189860  0.344994  0.627144  1
  Al  Al115  1  0.813382  0.635366  0.671620  1
  Al  Al116  1  0.814950  0.975024  0.598800  1
  Al  Al117  1  0.002387  0.909341  0.650836  1
  Al  Al118  1  0.002387  0.570899  0.714017  1
  Al  Al119  1  0.182842  0.816946  0.687718  1
  Al  Al120  1  0.184684  0.161454  0.612534  1
  Al  Al121  1  0.321075  0.996058  0.646711  1
  Al  Al122  1  0.321974  0.328557  0.577384  1
  Al  Al123  1  0.502387  0.676225  0.588780  1
  Al  Al124  1  0.502387  0.343394  0.660489  1
  Al  Al125  1  0.320343  0.826410  0.577965  1
  Al  Al126  1  0.320156  0.491739  0.648510  1
  Al  Al127  1  0.502387  0.645663  0.638490  1
  Al  Al128  1  0.502387  0.307928  0.709375  1
  Al  Al129  1  0.191392  0.635366  0.671620  1
  Al  Al130  1  0.189825  0.975024  0.598800  1
  Al  Al131  1  0.684431  0.826410  0.577965  1
  Al  Al132  1  0.684619  0.491739  0.648510  1
  Al  Al133  1  0.502387  0.900360  0.681920  1
  Al  Al134  1  0.502387  0.242263  0.617452  1
  Al  Al135  1  0.314449  0.514466  0.591460  1
  Al  Al136  1  0.314545  0.175002  0.662427  1
  Al  Al137  1  0.690325  0.514466  0.591460  1
  Al  Al138  1  0.690229  0.175002  0.662427  1
  Al  Al139  1  0.316179  0.809895  0.638645  1
  Al  Al140  1  0.306616  0.465356  0.703205  1
  Al  Al141  1  0.502387  0.734117  0.683137  1
  Al  Al142  1  0.502387  0.078547  0.608457  1
  Al  Al143  1  0.683699  0.996058  0.646711  1
  Al  Al144  1  0.682800  0.328557  0.577384  1
  Fe  Fe145  1  0.002387  0.920625  0.293158  1
  Fe  Fe146  1  0.002387  0.580097  0.361967  1
  Fe  Fe147  1  0.002387  0.093863  0.360980  1
  Fe  Fe148  1  0.002387  0.755453  0.432169  1
  Fe  Fe149  1  0.502387  0.414287  0.399378  1
  Fe  Fe150  1  0.502387  0.750043  0.329682  1
  Fe  Fe151  1  0.502387  0.925471  0.396116  1
  Fe  Fe152  1  0.502387  0.264013  0.325908  1
  Fe  Fe153  1  0.002387  0.243996  0.435605  1
  Fe  Fe154  1  0.002387  0.907408  0.507315  1
  Fe  Fe155  1  0.002387  0.421168  0.503924  1
  Fe  Fe156  1  0.002387  0.084912  0.575781  1
  Fe  Fe157  1  0.502387  0.740115  0.543170  1
  Fe  Fe158  1  0.502387  0.075791  0.471185  1
  Fe  Fe159  1  0.502387  0.252839  0.540024  1
  Fe  Fe160  1  0.502387  0.588222  0.468367  1
  Fe  Fe161  1  0.002387  0.573740  0.579387  1
  Fe  Fe162  1  0.002387  0.233802  0.649514  1
  Fe  Fe163  1  0.002387  0.747987  0.649269  1
  Fe  Fe164  1  0.002387  0.402763  0.717424  1
  Fe  Fe165  1  0.502387  0.061693  0.685022  1
  Fe  Fe166  1  0.502387  0.404058  0.614575  1
  Fe  Fe167  1  0.502387  0.574148  0.682286  1
  Fe  Fe168  1  0.502387  0.914072  0.611948  1
